2-methyl-6-{4-[(3-methylphenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-methyl-6-{4-[(3-methylphenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
2-methyl-6-{4-[(3-methylphenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
Compound ID: | F537-0269 |
Compound Name: | 2-methyl-6-{4-[(3-methylphenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
Molecular Weight: | 459.52 |
Molecular Formula: | C22 H25 N3 O6 S |
Smiles: | CC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(COc1cccc(C)c1)=O)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.8399 |
logD: | 1.8397 |
logSw: | -2.6616 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 87.986 |
InChI Key: | TXGJQJJQBBOZHK-MRXNPFEDSA-N |